FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2807020292> ?p ?o ?g. }

• W2807020292 endingPage "15329" @default.
• W2807020292 startingPage "15318" @default.
• W2807020292 abstract "A comprehensive set of surface phase diagrams addressing the catalytically relevant edges of the (100) surface of MoS2 catalysts is developed using dispersion-corrected density functional theory and ab initio thermodynamic modeling. The results of the temperature-dependent, free energy-based thermodynamic model are presented over the full range of catalytically relevant temperatures and pressures, in addition to S- and H-coverages ranging from 0 to 100%. The results of this work allow for a full thermodynamic analysis to be performed at the conditions relevant to any promising reaction involving MoS2, ranging from hydrodesulfurization to dehydrogenation to electrocatalysis. Several methodological recommendations are discussed and implemented with the goal of improving the accuracy of the surface phase diagrams at minimal computational expense. A library of the most stable S- and H-adsorption modes is also developed so that linear scaling relationships can be used to correlate thermodynamic stability with ..." @default.
• W2807020292 created "2018-06-13" @default.
• W2807020292 creator A5019016673 @default.
• W2807020292 creator A5030553728 @default.
• W2807020292 creator A5086140371 @default.
• W2807020292 date "2018-06-08" @default.
• W2807020292 modified "2023-09-24" @default.
• W2807020292 title "Comprehensive Phase Diagrams of MoS₂ Edge Sites Using Dispersion-Corrected DFT Free Energy Calculations" @default.
• W2807020292 cites W1964757004 @default.
• W2807020292 cites W1970127494 @default.
• W2807020292 cites W1974896731 @default.
• W2807020292 cites W1977883925 @default.
• W2807020292 cites W1978633051 @default.
• W2807020292 cites W1979544533 @default.
• W2807020292 cites W1981368803 @default.
• W2807020292 cites W1991630775 @default.
• W2807020292 cites W1995561707 @default.
• W2807020292 cites W1995794619 @default.
• W2807020292 cites W2002163489 @default.
• W2807020292 cites W2011301426 @default.
• W2807020292 cites W2022714449 @default.
• W2807020292 cites W2022791515 @default.
• W2807020292 cites W2023465157 @default.
• W2807020292 cites W2036113194 @default.
• W2807020292 cites W2036390197 @default.
• W2807020292 cites W2036614066 @default.
• W2807020292 cites W2040162984 @default.
• W2807020292 cites W2053558418 @default.
• W2807020292 cites W2069954848 @default.
• W2807020292 cites W2078203894 @default.
• W2807020292 cites W2080241239 @default.
• W2807020292 cites W2083222334 @default.
• W2807020292 cites W2086310984 @default.
• W2807020292 cites W2092157292 @default.
• W2807020292 cites W2096747776 @default.
• W2807020292 cites W2108380821 @default.
• W2807020292 cites W2129453321 @default.
• W2807020292 cites W2133795748 @default.
• W2807020292 cites W2158161616 @default.
• W2807020292 cites W2230728100 @default.
• W2807020292 cites W2326902404 @default.
• W2807020292 cites W2485782400 @default.
• W2807020292 cites W2601081289 @default.
• W2807020292 cites W2607413228 @default.
• W2807020292 cites W2621624591 @default.
• W2807020292 cites W2994141084 @default.
• W2807020292 cites W3206606417 @default.
• W2807020292 cites W8039185 @default.
• W2807020292 doi "https://doi.org/10.1021/acs.jpcc.8b02524" @default.
• W2807020292 hasPublicationYear "2018" @default.
• W2807020292 type Work @default.
• W2807020292 sameAs 2807020292 @default.
• W2807020292 citedByCount "16" @default.
• W2807020292 countsByYear W28070202922018 @default.
• W2807020292 countsByYear W28070202922019 @default.
• W2807020292 countsByYear W28070202922020 @default.
• W2807020292 countsByYear W28070202922021 @default.
• W2807020292 countsByYear W28070202922022 @default.
• W2807020292 countsByYear W28070202922023 @default.
• W2807020292 crossrefType "journal-article" @default.
• W2807020292 hasAuthorship W2807020292A5019016673 @default.
• W2807020292 hasAuthorship W2807020292A5030553728 @default.
• W2807020292 hasAuthorship W2807020292A5086140371 @default.
• W2807020292 hasConcept C120665830 @default.
• W2807020292 hasConcept C121332964 @default.
• W2807020292 hasConcept C121864883 @default.
• W2807020292 hasConcept C162307627 @default.
• W2807020292 hasConcept C177562468 @default.
• W2807020292 hasConcept C184779094 @default.
• W2807020292 hasConcept C186370098 @default.
• W2807020292 hasConcept C192562407 @default.
• W2807020292 hasConcept C30475298 @default.
• W2807020292 hasConcept C41008148 @default.
• W2807020292 hasConcept C41999313 @default.
• W2807020292 hasConcept C44280652 @default.
• W2807020292 hasConcept C62520636 @default.
• W2807020292 hasConcept C76155785 @default.
• W2807020292 hasConcept C85906118 @default.
• W2807020292 hasConceptScore W2807020292C120665830 @default.
• W2807020292 hasConceptScore W2807020292C121332964 @default.
• W2807020292 hasConceptScore W2807020292C121864883 @default.
• W2807020292 hasConceptScore W2807020292C162307627 @default.
• W2807020292 hasConceptScore W2807020292C177562468 @default.
• W2807020292 hasConceptScore W2807020292C184779094 @default.
• W2807020292 hasConceptScore W2807020292C186370098 @default.
• W2807020292 hasConceptScore W2807020292C192562407 @default.
• W2807020292 hasConceptScore W2807020292C30475298 @default.
• W2807020292 hasConceptScore W2807020292C41008148 @default.
• W2807020292 hasConceptScore W2807020292C41999313 @default.
• W2807020292 hasConceptScore W2807020292C44280652 @default.
• W2807020292 hasConceptScore W2807020292C62520636 @default.
• W2807020292 hasConceptScore W2807020292C76155785 @default.
• W2807020292 hasConceptScore W2807020292C85906118 @default.
• W2807020292 hasFunder F4320337345 @default.
• W2807020292 hasFunder F4320337480 @default.
• W2807020292 hasFunder F4320338279 @default.
• W2807020292 hasFunder F4320338281 @default.
• W2807020292 hasIssue "27" @default.

• next